Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 15/20 | 0.60 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4523300 | 0.92 | NR1H4 (0.52) | NR1H4ESR1 | |
| SCHEMBL4535874 | 0.92 | NR1H4 (0.59) | NR1H4 | |
| SCHEMBL4534394 | 0.87 | NR1H4 (0.45) | NR1H4ALDH1A1 | |
| SCHEMBL4531582 | 0.86 | NR1H4 (0.63) | NR1H4ESR1 | |
| SCHEMBL4526500 | 0.86 | NR1H4 (0.45) | NR1H4ESR1 | |
| SCHEMBL4535324 | 0.85 | NR1H4 (0.63) | NR1H4ESR1 | |
| SCHEMBL4527308 | 0.85 | NR1H4 (0.64) | NR1H4 | |
| SCHEMBL4525523 | 0.84 | NR1H4 (0.64) | NR1H4 | |
| SCHEMBL4526382 | 0.84 | NR1H4 (0.43) | NR1H4ESR1 | |
| SCHEMBL4565180 | 0.83 | NR1H4 (0.44) | NR1H4ESR1KDM4EALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090203577-A1 | Azepinoindole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2009-08-13 | — | — | US | disclosed |
| EP-1963331-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007070796-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090203577-A1 | Azepinoindole Derivatives As Pharmaceutical Agents | NR1H4, NR1I2, GPBAR1 | NR1H4 1/4885ESR1 292/4885KDM4E 3410/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.